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Information card for entry 4349359
Preview
| Coordinates | 4349359.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C90 H120 Ce2 N4 O2 Si8 |
|---|---|
| Calculated formula | C90 H120 Ce2 N4 O2 Si8 |
| Title of publication | Analysis of Lanthanide-Radical Magnetic Interactions in Ce(III) 2,2'-Bipyridyl Complexes. |
| Authors of publication | Ortu, Fabrizio; Liu, Jingjing; Burton, Matthew; Fowler, Jonathan M.; Formanuik, Alasdair; Boulon, Marie-Emmanuelle; Chilton, Nicholas F.; Mills, David P. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 5 |
| Pages of publication | 2496 - 2505 |
| a | 23.214 ± 0.0007 Å |
| b | 18.5597 ± 0.0004 Å |
| c | 23.8999 ± 0.0008 Å |
| α | 90° |
| β | 112.663 ± 0.004° |
| γ | 90° |
| Cell volume | 9502.1 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1556 |
| Residual factor for significantly intense reflections | 0.1053 |
| Weighted residual factors for significantly intense reflections | 0.2518 |
| Weighted residual factors for all reflections included in the refinement | 0.289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4349359.cif |
| 233893 | 2019-11-23 | cif/ Adding structures of 4349353, 4349354, 4349355, 4349356, 4349357, 4349358, 4349359, 4349360 via cif-deposit CGI script. |
4349359.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.